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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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NASA NTRS1991

Carbon dioxide effects on potato growth under different photoperiods and irradiance

The effects of atmospheric CO2 concentration, photosynthetic photon flux (PPF), and the length of the photoperiod on the tuber yield were investigated for three potato cultivars (Norland, Russet Burbank, and Denali), by growing these cultivars for 90 days in atmospheres containing 350 or 1000 micromol/mol CO2, at photoperiods of 12- or 24-hr, and at PPFs of 400 or 800 micromol/sq m per sec. Air temperatures and relative humidity were kept at 16 C and 70 percent, respectively. It was found that the tuber yield of Denali potatoes showed the greatest increase (21 percent) in response to increased CO2 across all irradiance treatments, while the tuber yields of Russet and Norland were increased 18 and 9 percent, respectively. Greater plant growth from CO2 enrichment was observed under lower PPF and the shorter (12 hr) photoperiod.

Wheeler, Raymond M.↗
DOE OSTI2014

Tropical temperature trends in Atmospheric General Circulation Model simulations and the impact of uncertainties in observed SSTs

Abstract The comparison of trends in various climate indices in observations and models is of fundamental importance for judging the credibility of climate projections. Tropical tropospheric temperature trends have attracted particular attention as this comparison may suggest a model deficiency. One can think of this problem as composed of two parts: one focused on tropical surface temperature trends and the associated issues related to forcing, feedbacks, and ocean heat uptake and a second part focusing on connections between surface and tropospheric temperatures and the vertical profile of trends in temperature. Here we focus on the atmospheric component of the problem. We show that two ensembles of Geophysical Fluid Dynamics Laboratory HiRAM model runs (similar results are shown for National Center for Atmospheric Research's CAM4 model) with different commonly used prescribed sea surface temperatures (SSTs), namely, the HadISST1 and “Hurrell” data sets, have a difference in upper tropical tropospheric temperature trends (∼0.1 K/decade at 300 hPa for the period 1984–2008) that is about a factor 3 larger than expected from moist adiabatic scaling of the tropical average SST trend difference. We show that this surprisingly large discrepancy in temperature trends is a consequence of SST trend differences being largest in regions of deep convection. Further, trends, and the degree of agreement with observations, not only depend on SST data set and the particular atmospheric temperature data set but also on the period chosen for comparison. Due to the large impact on atmospheric temperatures, these systematic uncertainties in SSTs need to be resolved before the fidelity of climate models' tropical temperature trend profiles can be assessed.

Flannaghan, T. J.↗
NASA NTRS1994

A comparison between general circulation model simulations using two sea surface temperature datasets for January 1979

Simulations with the UCLA atmospheric general circulation model (AGCM) using two different global sea surface temperature (SST) datasets for January 1979 are compared. One of these datasets is based on Comprehensive Ocean-Atmosphere Data Set (COADS) (SSTs) at locations where there are ship reports, and climatology elsewhere; the other is derived from measurements by instruments onboard NOAA satellites. In the former dataset (COADS SST), data are concentrated along shipping routes in the Northern Hemisphere; in the latter dataset High Resolution Infrared Sounder (HIRS SST), data cover the global domain. Ensembles of five 30-day mean fields are obtained from integrations performed in the perpetual-January mode. The results are presented as anomalies, that is, departures of each ensemble mean from that produced in a control simulation with climatological SSTs. Large differences are found between the anomalies obtained using COADS and HIRS SSTs, even in the Northern Hemisphere where the datasets are most similar to each other. The internal variability of the circulation in the control simulation and the simulated atmospheric response to anomalous forcings appear to be linked in that the pattern of geopotential height anomalies obtained using COADS SSTs resembles the first empirical orthogonal function (EOF 1) in the control simulation. The corresponding pattern obtained using HIRS SSTs is substantially different and somewhat resembles EOF 2 in the sector from central North America to central Asia. To gain insight into the reasons for these results, three additional simulations are carried out with SST anomalies confined to regions where COADS SSTs are substantially warmer than HIRS SSTs. The regions correspond to warm pools in the northwest and northeast Pacific, and the northwest Atlantic. These warm pools tend to produce positive geopotential height anomalies in the northeastern part of the corresponding oceans. Both warm pools in the Pacific produce large-scale circulation anomalies with a pattern that resembles that obtained using COADS SSTs as well as EOF 1 of the control simulation; the warm pool in the Atlantic does not. These results suggest that the differences obtained with COADS SSTs and HIRS SSTs are mostly due to the differences in the datasets over the northern Pacific. There was a blocking episode near Greenland in late January 1979. Both simulations with warm SST anomalies over the northwest and northeast Pacific show a tendency toward increased incidence of North Atlantic blocking; the simulation with warm SST anomalies over the northwest Atlantic shows a tendency toward decreased incidence. These results suggest that features in both SST datasets that do not have a counterpart in the other dataset contribute signficantly to the differences between the simulated and observed fields. The results of this study imply that uncertainties in current SST distributions for the world oceans can be as important as the SST anomalies themselves in terms of their impact on the atmospheric circulation. Caution should be exercised, therefore, when linking anomalous circulation and SST patterns, especially in long-range prediction.

Ose, Tomoaki↗
DOE OSTI2023

Semi-Implicit Computation of Fast Modes in a Scheme Integrating Slow Modes by a Leapfrog Method Based on a Selective Implicit Time Filter

Abstract A scheme for integration of atmospheric equations containing terms with differing time scales is developed. The method employs a filtered leapfrog scheme utilizing a fourth-order implicit time filter with one function evaluation per time step to compute slow-propagating phenomena such as advection and rotation. The terms involving fast-propagating modes are handled implicitly with an unconditionally stable method that permits application of larger time steps and faster computations compared to fully explicit treatment. Implementation using explicit and recurrent formulation is provided. Stability analysis demonstrates that the method is conditionally stable for any combination of frequencies involved in the slow and fast terms as they approach the origin. The implicit filter used in the method damps the computational modes without noticeably sacrificing the accuracy of the physical mode. TheO[(Δt 4 )] accuracy for amplitude errors achieved by the implicitly filtered leapfrog is preserved in applications where terms responsible for fast propagation are integrated with a semi-implicit method. Detailed formulation of the method for soundproof nonhydrostatic anelastic equations is provided. Procedures for implementation in global spectral shallow-water models are also given. Examples comparing numerical and analytical solutions for linear gravity waves demonstrate the accuracy of the scheme. The performance is also shown in more practical nonlinear applications, where numerical solutions accomplished by the method are evaluated against those computed from a scheme where the slow terms are handled by the third-order Runge–Kutta scheme. It demonstrates that the method is able to accurately resolve fine-scale dynamics of Kelvin–Helmholtz shear instabilities, the evolution of density current, and nonlinear drifts of twin tropical cyclones.

Meteorology & Atmospheric Sciences↗
NASA NTRS1979

A GCM simulation of the earth-atmosphere radiation balance for winter and summer

The radiation balance of the earth-atmosphere system simulated by using the general circulation model (GCM) of the Laboratory for Atmospheric Sciences (GLAS) is examined in regards to its graphical distribution, zonally-averaged distribution, and global mean. Most of the main features of the radiation balance at the top of the atmosphere are reasonably simulated, with some differences in the detailed structure of the patterns and intensities for both summer and winter in comparison with values as derived from Nimbus and NOAA (National Oceanic and Atmospheric Administration) satellite observations. Both the capability and defects of the model are discussed.

Wu, M. L. C.↗
NASA NTRS1986

The case for a Martian origin of the shergottites. II - Trapped and indigenous gas components in EETA 79001 glass

The isotopic composition of N, Ar, Ne, and He, trapped in an uncrushed sample of the antarctic shergottite EETA 79001, was analyzed by subjecting the evacuated sample to stepped heating in the presence of 100 mtorr of oxygen. The isotopic composition of nitrogen (with the delta-N-15 value of greater than 300 percent) and the elemental ratios Ar-36/N-14 and Ar-40/N-14 were covariant along mixing lines passing through the Martian atmospheric composition. The results of this and previous analyses are consistent with a two-component nitrogen system in which about 84 ppb of trapped Martian atmospheric N is mixed in variable proportions with another, more thermally labile N component during stepped heating. The isotopic Ar-36/Ar-38 ratio of the EETA 79001 is different from that of the earth atmosphere by about 25 percent.

Wiens, R. C.↗
NASA NTRS2013

North Atlantic Simulations in Coordinated Ocean-Ice Reference Experiments Phase II (CORE-II). Part I: Mean States

Simulation characteristics from eighteen global ocean-sea-ice coupled models are presented with a focus on the mean Atlantic meridional overturning circulation (AMOC) and other related fields in the North Atlantic. These experiments use inter-annually varying atmospheric forcing data sets for the 60-year period from 1948 to 2007 and are performed as contributions to the second phase of the Coordinated Oceanice Reference Experiments (CORE-II). The protocol for conducting such CORE-II experiments is summarized. Despite using the same atmospheric forcing, the solutions show significant differences. As most models also differ from available observations, biases in the Labrador Sea region in upper-ocean potential temperature and salinity distributions, mixed layer depths, and sea-ice cover are identified as contributors to differences in AMOC. These differences in the solutions do not suggest an obvious grouping of the models based on their ocean model lineage, their vertical coordinate representations, or surface salinity restoring strengths. Thus, the solution differences among the models are attributed primarily to use of different subgrid scale parameterizations and parameter choices as well as to differences in vertical and horizontal grid resolutions in the ocean models. Use of a wide variety of sea-ice models with diverse snow and sea-ice albedo treatments also contributes to these differences. Based on the diagnostics considered, the majority of the models appear suitable for use in studies involving the North Atlantic, but some models require dedicated development effort. atmospheric forcing atmospheric temperatures

ocean model comparisons↗
DOE OSTI2019

Surface‐Atmosphere Coupling Scale, the Fate of Water, and Ecophysiological Function in a Brazilian Forest

Abstract Tropical South America plays a central role in global climate. Bowen ratio teleconnects to circulation and precipitation processes far afield, and the global CO 2 growth rate is strongly influenced by carbon cycle processes in South America. However, quantification of basin‐wide seasonality of flux partitioning between latent and sensible heat, the response to anomalies around climatic norms, and understanding of the processes and mechanisms that control the carbon cycle remains elusive. Here, we investigate simulated surface‐atmosphere interaction at a single site in Brazil, using models with different representations of precipitation and cloud processes, as well as differences in scale of coupling between the surface and atmosphere. We find that the model with parameterized clouds/precipitation has a tendency toward unrealistic perpetual light precipitation, while models with explicit treatment of clouds produce more intense and less frequent rain. Models that couple the surface to the atmosphere on the scale of kilometers, as opposed to tens or hundreds of kilometers, produce even more realistic distributions of rainfall. Rainfall intensity has direct consequences for the “fate of water,” or the pathway that a hydrometeor follows once it interacts with the surface. We find that the model with explicit treatment of cloud processes, coupled to the surface at small scales, is the most realistic when compared to observations. These results have implications for simulations of global climate, as the use of models with explicit (as opposed to parameterized) cloud representations becomes more widespread.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Operational constraints and strategies for systems to effect the sustainable, solar-driven reduction of atmospheric CO 2

The operational constraints for a 6-electron/6-proton CO 2 reduction system that operates at the concentration of CO 2 in the current atmosphere (p CO 2 = 400 ppm) have been evaluated on a variety of scale lengths that span from laboratory scale to global scale. Due to the low concentration of CO 2 in the atmosphere, limitations due to mass transport of CO 2 from the tropopause have been evaluated through five different regions, each with different characteristic length scales: the troposphere; the atmospheric boundary layer (ABL); the canopy layer; a membrane layer; and an aqueous electrolyte layer. The resulting CO 2 conductances, and associated physical transport limitations, will set the ultimate limit on the efficiency and areal requirements of a sustainable solar-driven CO 2 reduction system regardless of the activity or selectivity of catalysts for reduction of CO 2 at the molecular level. At the electrolyte/electrode interface, the steady-state limiting current density and the concomitant voltage loss associated with the CO 2 concentration overpotential in a one-dimensional solar-driven CO 2 reduction cell have been assessed quantitatively using a mathematical model that accounts for diffusion, migration and convective transport, as well as for bulk electrochemical reactions in the electrolyte. At p CO 2 = 400 ppm, the low diffusion coefficient combined with the low solubility of CO 2 in aqueous solutions constrains the steady-state limiting current density to <0.1 mA cm -2 in a typical electrochemical cell with natural convection and employing electrolytes with a range of pH values. Hence, in such a system, the CO 2 capture area must be 100- to 1000-fold larger than the solar photon collection area to enable a >10% efficient solar-driven CO 2 reduction system (based on the solar collection area). This flux limitation is consistent with estimates of oceanic CO 2 uptake fluxes that have been developed in conjunction with carbon-cycle analyses for use in coupled atmosphere/ocean general circulation models. Two strategies to improve the feasibility of obtaining efficient and sustainable CO 2 transport to a cathode surface at p CO 2 = 400 ppm are described and modeled quantitatively. The first strategy employs yet unknown catalysts, analogous to carbonic anhydrases, that dramatically accelerate the chemically enhanced CO 2 transport in the aqueous electrolyte layer by enhancing the acid–base reactions in a bicarbonate buffer system. The rapid interconversion from bicarbonate to CO 2 in the presence of such catalysts near the cathode surface would in principle yield significant increases in the steady-state limiting current density and allow for >10% solar-fuel operation at the cell level. The second strategy employs a thin-layer cell architecture to improve the diffusive transport of CO 2 by use of an ultrathin polymeric membrane electrolyte. Rapid equilibration of CO 2 at the gas/electrolyte interface, and significantly enhanced diffusive fluxes of CO 2 in electrolytes, are required to increase the steady-state limiting current density of such a system. This latter approach however only is feasible for gaseous products, because liquid products would coat the electrode and therefore thicken the hydrodynamic boundary layer and accordingly reduce the diffusive CO 2 flux to the electrode surface. Regardless of whether the limitations due to mass transport to the electrode surface are overcome on the laboratory scale, at global scales the ultimate CO 2 flux limitations will be dictated by mass transport considerations related to transport of atmospheric CO 2 to the boundary plane of the solar-driven reactor system. The transport of CO 2 across the troposphere/ABL interface, the ABL/canopy layer interface, and the canopy layer/electrolyte interface have therefore been assessed in this work, to provide upper bounds on the ultimate limits for the solar-to-fuel (STF) conversion efficiency for systems that are intended to effect the reduction of atmospheric CO 2 in a sustainable fashion at global scale.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1992

Mars volatile evolution: Implications of the recent measurement of O-17 in water from the SNC meteorites

Oxygen, carbon, and hydrocarbon isotopes in water and carbon dioxide in the Martian environment can fractionate due to processes involving escape to space, exchange between atmospheric and non-atmospheric species, and exchange of atoms between different molecules. As a result, the ratios of O-18/O-17/O-16, C-13/C-12 and D/H in atmospheric and surface species are sensitive indicators of the integrated effects of outgassing and volatile evolution over geologic time. Previously, I summarized all of the available observations of isotopic abundances and compared them with models of fractionation in order to see which scenarios of volatile evolution were most plausible. Presently, I have included in the models the possible evolution of O-17 due to loss to space in order to see whether these measurements are consistent with various scenarios for atmospheric evolution.

Jakosky, Bruce M.↗
NASA NTRS2018

The Impact of Prior Biosphere Models in the Inversion of Global Terrestrial CO2 Fluxes by Assimilating OCO-2 Retrievals

Atmospheric mixing ratios of carbon dioxide (CO2) are largely controlled by anthropogenic emissions and biospheric fluxes. The processes controlling terrestrial biosphere-atmosphere carbon exchange are currently not fully understood, resulting in terrestrial biospheric models having significant differences in the quantification of biospheric CO2 fluxes. Atmospheric transport models assimilating measured (in situ or space-borne) CO2 concentrations to estimate "top-down" fluxes, generally use these biospheric CO2 fluxes as a priori information. Most of the flux inversion estimates result in substantially different spatio-temporal posteriori estimates of regional and global biospheric CO2 fluxes. The Orbiting Carbon Observatory 2 (OCO-2) satellite mission dedicated to accurately measure column CO2 (XCO2) allows for an improved understanding of global biospheric CO2 fluxes. OCO-2 provides much-needed CO2 observations in data-limited regions facilitating better global and regional estimates of "top-down" CO2 fluxes through inversion model simulations. The specific objectives of our research are to: 1) conduct GEOS-Chem 4D-Var assimilation of OCO-2 observations, using several state-of-the-science biospheric CO2 flux models as a priori information, to better constrain terrestrial CO2 fluxes, and 2) quantify the impact of different biospheric model prior fluxes on OCO-2-assimilated a posteriori CO2 flux estimates. Here we present our assessment of the importance of these a priori fluxes by conducting Observing System Simulation Experiments (OSSE) using simulated OCO-2 observations with known "true" fluxes.

Biosphere↗
DOE OSTI2018

Preservation of rat hearts in subfreezing temperature isochoric conditions to – 8 °C and 78 MPa

Highlights: • A novel method of low-temperature organ preservation is tested using rat hearts. • Isochoric systems allow ice-free preservation at temperatures well below freezing. • Conventional heart preservation employs on-ice storage in atmospheric conditions. • Histological quality is improved in hearts preserved in a −4 °C isochoric system. Isochoric (constant volume) preservation at subfreezing temperatures is being investigated as a novel method for preserving cells and organs. This study is a first initial effort to evaluate the efficacy of this method for heart preservation, and to provide a preliminary outline of appropriate preservation parameters. To establish a baseline for further studies, rat hearts were preserved in a University of Wisconsin (UW) intracellular solution for one hour under isochoric conditions at: 0 °C (atmospheric pressure - 0.1 MPa), - 4 °C (41 MPa), - 6 °C (60 MPa) and – 8 °C (78 MPa). The viability of the heart was evaluated using Langendorff perfusion and histological examination. The physiological performance of hearts preserved at – 4 °C (41 MPa) was comparable to that of a heart preserved on ice at atmospheric pressure, with no statistically significant difference in histological injury score. However, hearts preserved at −4 °C displayed substantially reduced interstitial edema compared to hearts preserved by conventional hypothermic preservation in UW on ice at atmospheric pressure, suggesting significant protection from increased vascular permeability following preservation. Hearts preserved at – 6 °C (60 MPa) suffered injury from cellular swelling and extensive edema, and at – 8 °C (78 MPa) hearts experienced significant morphological disruption. To the best of our knowledge, this is the first publication showing that a mammalian organ can survive low subfreezing temperatures without the use of a cryoprotective additive. Lowering the preservation temperature reduces metabolism and improves preservation quality, and these results suggest that improvements in preservation are possible at subzero temperatures with low to moderate pressures observed at −4 °C. Notably, tissue damage was observed at lower temperatures (−6 °C or below) accompanying further elevation of pressure associated with isochoric preservation that may prove detrimental. Therefore, subfreezing temperature isochoric preservation protocols should optimize, a combination of temperature and pressure that will minimize the negative effects of elevated pressure while retaining the beneficial effect of lower temperatures and reduced metabolism.

60 APPLIED LIFE SCIENCES↗
NASA NTRSDate not supplied

Validation of Decompression Sickness Risk Mitigation Protocols for Planetary Spaceflight Missions

BACKGROUND: Apollo missions used a 100% O2 cabin atmosphere which effectively eliminated the risk of decompression sickness (DCS) during extravehicular activity (EVA) on the moon. NASA’s future missions to the moon and Mars are expected to use nitrox gas mixtures of up to 34% O2, 66% N2, which will reduce flammability risk compared with Apollo, but will necessitate Oxygen prebreathe prior to EVA to reduce DCS risk to acceptable levels. Prebreathe protocols used on the space shuttle and International Space Station are validated for microgravity EVAs, but the significantly increased risk of DCS during equivalent ambulatory EVAs make these protocols inapplicable to planetary EVA. An “exploration atmosphere” of 56.5 kPa (8.2 psia), 34% O2, 66% N2 has been recommended by NASA as a compromise that balances prebreathe duration, hypoxia, and flammability risk, assuming a 29.6 kPa (4.3 psi) spacesuit. However, this atmosphere may not be used for vehicles that do not support frequent EVA, and with commercial providers and international providers expected to provide landers, pressurized rovers, habitats, and spacesuits, different combinations of vehicle and spacesuit atmospheres are possible and will each require validated prebreathe protocols. OVERVIEW: Key components of a multi-year strategic roadmap include: 1) Establish hypobaric chamber facility capable of supporting 8-person EVA prebreathe validation tests at saturation atmospheres up to 36% O2; 2) validate an EVA physical workload simulation for use during prebreathe validation testing; 3) validate the recommended “exploration atmosphere” prebreathe protocol; 4) validate prebreathe protocols for additional atmospheric combinations that bound the most likely potential operating ranges of future vehicles and spacesuits; and 5) update DCS risk estimation models based on results of prebreathe validation studies. DISCUSSION: Details and data from completion of the first two steps of the strategic roadmap will be presented; the third step is currently underway, with pilot results provided in a companion presentation. Steps four and five will require a multi-year series of chamber tests; collaborations are being pursued.

Andrew F. J. Abercromby↗
NASA NTRS2024

Enstatite Chondrite Outgassing and Condensate Formation: Implications for Early Atmosphere Development

Early atmospheres on rocky planets where life may develop form through outgassing of their original starting blocks, likely a mixture of chondritic material (carbonaceous chondrites (CC), ordinary chondrites (OC), and enstatite chondrites (EC)). However, there is limited experimental data to inform models connecting a planet’s bulk composition to its early atmospheric properties and thus its possibility for life. Thompson et al. (2021) took a major step for-ward in exploring this knowledge gap by measuring outgassing of 3 volatile-rich CCs, providing important experimental constraints on the initial chemical com-position of early rocky planet atmospheres. These data provided novel insights into the gas chemistry released into evolving atmospheres early in a rocky planet’s history and differed from those currently assumed by many theoretical models of rocky planet atmosphere formation. In this study, we focused on the outgassing and condensation reactions of a primitive EC3, which has a lower intrinsic oxygen fugacity ( ƒ O 2 ) and lower volatile content than the CCC meteorites investigated by. We selected the EC to explore differences between EC and CC in low-pressure, high-temperature outgassing and condensation including S, Cl, Na, and C species.

B A Anzures↗
DOE OSTI2017

Objective tropical cyclone extratropical transition detection in high-resolution reanalysis and climate model data

This paper describes an objective technique for detecting the extratropical transition (ET) of tropical cyclones (TCs) in high-resolution gridded climate data. The algorithm is based on previous observational studies using phase spaces to define the symmetry and vertical thermal structure of cyclones. Storm tracking is automated, allowing for direct analysis of climate data. Tracker performance in the North Atlantic is assessed using 23 years of data from the variable-resolution Community Atmosphere Model (CAM) at two different resolutions (DX 55 km and 28 km), the Climate Forecast System Reanalysis (CFSR, DX 38 km), and the ERA-Interim Reanalysis (ERA-I, DX 80 km). The mean spatiotemporal climatologies and seasonal cycles of objectively detected ET in the observationally constrained CFSR and ERA-I are well matched to previous observational studies, demonstrating the capability of the scheme to adequately find events. High resolution CAM reproduces TC and ET statistics that are in general agreement with reanalyses. One notable model bias, however, is significantly longer time between ET onset and ET completion in CAM, particularly for TCs that lose symmetry prior to developing a cold-core structure and becoming extratropical cyclones, demonstrating the capability of this method to expose model biases in simulated cyclones beyond the tropical phase.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Synergistic Effects of Temperature, Oxidation and Stress Level on Fatigue Damage Evolution and Lifetime Prediction of Cross-Ply SiC/CAS Ceramic-Matrix Composites Through Hysteresis-Based Parameters

The damage development and cyclic fatigue lifetime of cross-ply SiC/CAS ceramic-matrix composites have been investigated at different testing temperatures in air atmosphere. The relationships between the fatigue hysteresis-based damage parameters, i.e., fatigue hysteresis dissipated energy, fatigue hysteresis modulus and fatigue peak strain and the damage mechanisms of matrix multicracking, fiber/matrix interface debonding, interface sliding and fibers failure, have been established. With the increase in the cycle number, the evolution of the fatigue hysteresis modulus, fatigue peak strain and fatigue hysteresis dissipated energy depends upon the fatigue peak stress levels, interface and fibers oxidation and testing temperature. The fatigue life S-N curves of cross-ply SiC/CAS composite at room and elevated temperatures have been predicted, and the fatigue limit stresses at room temperature, 750 and 850 °C, are 50, 36 and 30% of the tensile strength, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Skeletal reaction models for methane combustion

A local-sensitivity-analysis technique is employed to generate new skeletal reaction models for methane combustion from the foundational fuel chemistry model (FFCM-1). Here, the sensitivities of the thermo-chemical variables with respect to the reaction rates are computed via the forced-optimally time dependent (f-OTD) methodology. In this methodology, the large sensitivity matrix containing all local sensitivities is modeled as a product of two low-rank time-dependent matrices. The evolution equations of these matrices are derived from the governing equations of the system. The modeled sensitivities are computed for the auto-ignition of methane at atmospheric and high pressures with different sets of initial temperatures, and equivalence ratios. These sensitivities are then analyzed to rank the most important (sensitive) species. A series of skeletal models with different number of species and levels of accuracy in reproducing the FFCM-1 results are suggested. The performances of the generated models are compared against FFCM-1 in predicting the ignition delay, the laminar flame speed, and the flame extinction. The results of this comparative assessment suggest the skeletal models with 24 and more species generate the FFCM-1 results with an excellent accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗